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Basic information
- Standard SMILES
CC(Nc1c(Cl)ccc2c1CCN(C(=O)C(F)(F)F)CC2)c1ccc(F)c(Cl)c1- InChIKey
PXRDXTPZAQVIMX-UHFFFAOYSA-N- Molecular formula
- C20H18Cl2F4N2O
- Average molar mass
- 449.3 g/mol
- Monoisotopic mass
- 448.0732312
Names & identifiers
- Preferred name
- 7-chloro-6-[1-(3-chloro-4-fluoro-phenyl)-ethylamino]-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
- IUPAC
- 1-[7-chloro-6-[1-(3-chloro-4-fluorophenyl)ethylamino]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-2,2,2-trifluoroethanone
Names & synonyms
7-chloro-6-[1-(3-chloro-4-fluoro-phenyl)-ethylamino]-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepineSCHEMBL506760
Database identifiers
- PubChem CID
- 86629626
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 579
Related reactions
3 records
Compound notes
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